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La ricerca find articoli where soggetti phrase all words 'OCTANOL-WATER PARTITION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 123 riferimenti
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    1. Wang, YH; Wong, PK
      Mathematical relationships between vapor pressure, water solubility, Henry's law constant, n-octanol/water partition coefficent and gas chromatographic retention index of polychlorinated-dibenzo-dioxins

      WATER RESEARCH
    2. Tice, CM
      Selecting the right compounds for screening: does Lipinski's Rule of 5 forpharmaceuticals apply to agrochemicals?

      PEST MANAGEMENT SCIENCE
    3. Lyubartsev, AP; Jacobsson, SP; Sundholm, G; Laaksonen, A
      Solubility of organic compounds in water/octanol systems. A expanded ensemble molecular dynamics simulation study of log P parameters

      JOURNAL OF PHYSICAL CHEMISTRY B
    4. Matter, H; Baringhaus, KH; Naumann, T; Klabunde, T; Pirard, B
      Computational approaches towards the rational design of drug-like compoundlibraries

      COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
    5. Bodor, N; Buchwald, P
      Drug targeting by retrometabolic design: Soft drugs and chemical delivery systems (Reprinted from Drug Targeting Technology: Physical - Chemical - Biological Methods - Drugs and the Pharmaceutical Sciences, vol 115, pg 163-187, 2001)

      JOURNAL OF RECEPTOR AND SIGNAL TRANSDUCTION RESEARCH
    6. Osterberg, T; Svensson, M; Lundahl, P
      Chromatographic retention of drug molecules on immobilised liposomes prepared from egg phospholipids and from chemically pure phospholipids

      EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
    7. Mannhold, R; van de Waterbeemd, H
      Substructure and whole molecule approaches for calculating log P

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    8. Thomsen, M; Carlsen, L; Hvidt, S
      Solubilities and surface activities of phthalates investigated by surface tension measurements

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    9. Han, YH; Kato, Y; Haramura, M; Ohta, M; Matsuoka, H; Sugiyama, Y
      Physicochemical parameters responsible for the affinity of methotrexate analogs for rat canalicular multispecific organic anion transporter (cMOAT/MRP2)

      PHARMACEUTICAL RESEARCH
    10. Razak, JL; Cutak, BJ; Larive, CK; Lunte, CE
      Correlation of the capacity factor in vesicular electrokinetic chromatography with the octanol : water partition coefficient for charged and neutral analytes

      PHARMACEUTICAL RESEARCH
    11. Minh, TB; Watanabe, M; Tanabe, S; Yamada, T; Hata, J; Watanabe, S
      Specific accumulation and elimination kinetics of tris(4-chlorophenyl) methane, tris(4-chlorophenyl)methanol, and other persistent organochlorines inhumans from Japan

      ENVIRONMENTAL HEALTH PERSPECTIVES
    12. Hendrikse, NH; Bart, J; de Vries, EGE; Groen, HJM; van der Graaf, WTA; Vaalburg, W
      P-glycoprotein at the blood-brain barrier and analysis of drug transport with positron-emission tomography

      JOURNAL OF CLINICAL PHARMACOLOGY
    13. Paschke, A; Manz, M; Schuurmann, G
      Application of different RP-HPLC methods for the determination of the octanol/water partition coefficient of selected tetrachlorobenzyltoluenes

      CHEMOSPHERE
    14. Abe, T; Saito, H; Niikura, Y; Shigeoka, T; Nakano, Y
      Embryonic development assay with Daphnia magna: application to toxicity ofaniline derivatives

      CHEMOSPHERE
    15. Makino, M
      Dependence of GC-RRTs on the solvent-accessible surface area of dioxins and related compounds

      CHEMOSPHERE
    16. Bodor, N
      Retrometabolic drug design - novel aspects, future directions

      PHARMAZIE
    17. Voutsas, E; Tritopoulou, E; Magoulas, K; Tassios, D
      Prediction helps analytical experimental work for environmental purposes

      MIKROCHIMICA ACTA
    18. Buchwald, P; Bodor, N
      A simple, predictive, structure-based skin permeability model

      JOURNAL OF PHARMACY AND PHARMACOLOGY
    19. Kerns, EH
      High throughput physicochemical profiling for drug discovery

      JOURNAL OF PHARMACEUTICAL SCIENCES
    20. Escuder-Gilabert, L; Martin-Biosca, Y; Sagrado, S; Villanueva-Camanas, RM; Medina-Hernandez, MJ
      Biopartitioning micellar chromatography to predict ecotoxicity

      ANALYTICA CHIMICA ACTA
    21. Martin-Biosca, Y; Escuder-Gilabert, L; Marina, ML; Sagrado, S; Villanueva-Camanas, RM; Medina-Hernandez, MJ
      Quantitative retention- and migration- toxicity relationships of phenoxy acid herbicides in micellar liquid chromatography and micellar electrokinetic chromatography

      ANALYTICA CHIMICA ACTA
    22. Nakamura, M; Suzuki, T; Amano, K; Yamada, S
      Relation of sorption behavior of agricultural chemicals in solid-phase extraction with their n-octanol/water partition coefficients evaluated by high-performance liquid chromatography (HPLC)

      ANALYTICA CHIMICA ACTA
    23. Klotz, WL; Schure, MR; Foley, JP
      Determination of octanol-water partition coefficients of pesticides by microemulsion electrokinetic chromatography

      JOURNAL OF CHROMATOGRAPHY A
    24. Poole, SK; Durham, D; Kibbey, C
      Rapid method for estimating the octanol-water partition coefficient (log P-ow) by microemulsion electrokinetic chromatography

      JOURNAL OF CHROMATOGRAPHY B
    25. Hunter, JG; Uchrin, CG
      Adsorption of phthalate esters on soil at near saturation conditions

      JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING
    26. Rathbun, RE
      Transport, behavior, and fate of volatile organic compounds in streams

      CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
    27. Schelenz, T
      On the physicochemical characterization of 5-amino-1-aryl-1H-tetrazoles: Kinetics of distribution in the two-phase system octan-1-ol/water

      JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG
    28. Schelenz, T; Schafer, W
      On the physicochemical characterization of 5-amino-1-aryl-1H-tetrazoles: Aqueous solubilities and their relationships to octan-1-ol/water partition coefficients

      JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG
    29. Buchwald, P
      Modeling liquid properties, solvation, and hydrophobicity: A molecular size-based perspective

      PERSPECTIVES IN DRUG DISCOVERY AND DESIGN
    30. Jager, R; Schmidt, F; Schilling, B; Brickmann, J
      Localization and quantification of hydrophobicity: The molecular free energy density (MolFESD) concept and its application to sweetness recognition

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    31. Cole, JG; Mackay, D
      Correlating environmental partitioning properties of organic compounds: The three solubility approach

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    32. Hitzel, L; Watt, AP; Locker, KL
      An increased throughput method for the determination of partition coefficients

      PHARMACEUTICAL RESEARCH
    33. Panchagnula, R; Thomas, NS
      Biopharmaceutics and pharmacokinetics in drug research

      INTERNATIONAL JOURNAL OF PHARMACEUTICS
    34. Bodor, N; Buchwald, P
      Soft drug design: General principles and recent applications

      MEDICINAL RESEARCH REVIEWS
    35. Huuskonen, JJ; Livingstone, DJ; Tetko, IV
      Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    36. Beck, B; Breindl, A; Clark, T
      QM/NN QSPR models with error estimation: Vapor pressure and LogP

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    37. Ruelle, P
      Universal model based on the mobile order and disorder theory for predicting lipophilicity and partition coefficients in all mutually immiscible two-phase liquid systems

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    38. Katritzky, AR; Maran, U; Lobanov, VS; Karelson, M
      Structurally diverse quantitative structure-property relationship correlations of technologically relevant physical properties

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    39. Platts, JA; Abraham, MH; Butina, D; Hersey, A
      Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    40. Cousins, I; Mackay, D
      Correlating the physical-chemical properties of phthalate esters using the'three solubility' approach

      CHEMOSPHERE
    41. Lu, XX; Tao, S; Hu, HY; Dawson, RW
      Estimation of bioconcentration factors of nonionic organic compounds in fish by molecular connectivity indices and polarity correction factors

      CHEMOSPHERE
    42. Buchwald, P; Bodor, N
      Structure-based estimation of enzymatic hydrolysis rates and its application in computer-aided retrometabolic drug design

      PHARMAZIE
    43. Torres-Cartas, S; Villanueva-Camanas, RM; Garcia-Alvarez-Coque, MC
      Retention-structure relationship studies for some steroidal hormones in micellar liquid chromatography

      CHROMATOGRAPHIA
    44. Doong, RA; Chang, SM
      Determination of distribution coefficients of priority polycyclic aromatichydrocarbons using solid-phase microextraction

      ANALYTICAL CHEMISTRY
    45. Carlsson, K; Karlberg, B
      Determination of octanol-water partition coefficients using a micro-volumeliquid-liquid flow extraction system

      ANALYTICA CHIMICA ACTA
    46. Tao, P; Wang, RX; Lai, LH
      Calculating partition coefficients of peptides by the addition method

      JOURNAL OF MOLECULAR MODELING
    47. Smith, DA; van de Waterbeemd, H
      Pharmacokinetics and metabolism in early drug discovery

      CURRENT OPINION IN CHEMICAL BIOLOGY
    48. Devillers, J
      Calculation of octanol/water partition coefficients for pesticides. A comparative study

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    49. Franco, I; Leita, L; Vischetti, C; de Nobili, M
      Adsorption of five model organic compounds on a peat at different stages of drying

      JOURNAL OF SOIL CONTAMINATION
    50. Schelenz, T; Schafer, W
      On the physicochemical characterization of 5-amino-1-aryl-1H-tetrazoles: Substituent effects in distribution between octan-1-ol and water

      JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG
    51. Meylan, WM; Howard, PH; Boethling, RS; Aronson, D; Printup, H; Gouchie, S
      Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    52. Li, L; Wang, LS; Han, SK; Zhang, Z
      Comparison of four methods of predicting newly measured octanol/water coefficients (log k(ow)) for heterocyclic nitrogen compounds and the partition mechanism

      ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
    53. Makino, M
      Novel classification to predict relative gas chromatographic retention times and n-octanol/water partition coefficients of polychlorinated biphenyls

      CHEMOSPHERE
    54. Hansen, BG; Paya-Perez, AB; Rahman, M; Larsen, BR
      Qsars for K-ow and K-oc of PCB congeners: A critical examination of data, assumptions and statistical approaches

      CHEMOSPHERE
    55. Thomsen, M; Rasmussen, AG; Carlsen, L
      SAR/QSAR approaches to solubility, partitioning and sorption of phthalates

      CHEMOSPHERE
    56. Buchwald, P; Bodor, N
      Quantitative structure-metabolism relationships: Steric and nonsteric effects in the enzymatic hydrolysis of noncongener carboxylic esters

      JOURNAL OF MEDICINAL CHEMISTRY
    57. Griffin, S; Wyllie, SG; Markham, J
      Determination of octanol-water partition coefficient for terpenoids using reversed-phase high-performance liquid chromatography

      JOURNAL OF CHROMATOGRAPHY A
    58. WALTHER M; FLECK J
      SYNTHETIC PEPTIDES INDUCING METAMORPHOSIS IN A TROPICAL JELLYFISH - AQUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY

      Comparative biochemistry and physiology. Part A, Molecular & integrative physiology
    59. PASCHKE A; SCHUURMANN G
      OCTANOL WATER-PARTITIONING OF 4 HCH ISOMERS AT 5, 25 AND 45 DEGREES-C/

      Fresenius environmental bulletin
    60. ZHAO YH; CRONIN MTD; DEARDEN JC
      QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS OF CHEMICALS ACTING BY NONPOLAR NARCOSIS - THEORETICAL CONSIDERATIONS

      Quantitative structure-activity relationships
    61. Mannhold, R; Rekker, RF; Dross, K; Bijloo, G; de Vries, G
      The lipophilic behaviour of organic compounds: 1. An updating of the hydrophobic fragmental constant approach

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    62. HAU KM; CONNELL DW
      QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS (QSARS) FOR ODOR THRESHOLDS OF VOLATILE ORGANIC-COMPOUNDS (VOCS)

      Indoor air
    63. FISK AT; NORSTROM RJ; CYMBALISTY CD; MUIR DCG
      DIETARY ACCUMULATION AND DEPURATION OF HYDROPHOBIC ORGANOCHLORINES - BIOACCUMULATION PARAMETERS AND THEIR RELATIONSHIP WITH THE OCTANOL WATER PARTITION-COEFFICIENT/

      Environmental toxicology and chemistry
    64. DEMAAGD PGJ; TENHULSCHER DTEM; VANDENHEUVEL H; OPPERHUIZEN A; SIJM DTHM
      PHYSICOCHEMICAL PROPERTIES OF POLYCYCLIC AROMATIC-HYDROCARBONS - AQUEOUS SOLUBILITIES, N-OCTANOL WATER PARTITION-COEFFICIENTS, AND HENRYS LAW CONSTANTS/

      Environmental toxicology and chemistry
    65. ANGEHRN D; GALLI R; ZEYER J
      PHYSICOCHEMICAL CHARACTERIZATION OF RESIDUAL MINERAL-OIL CONTAMINANTSIN BIOREMEDIATED SOIL

      Environmental toxicology and chemistry
    66. Matsui, S; Yamamoto, H; Shimizu, Y; Harada, J; Einaga, D
      Humic substances affecting the limitation of the activated sludge process for removal of micropollutants

      WATER SCIENCE AND TECHNOLOGY
    67. DEVILLERS J; DOMINE D; GUILLON C
      AUTOCORRELATION MODELING OF LIPOPHILICITY WITH A BACKPROPAGATION NEURAL-NETWORK

      European journal of medicinal chemistry
    68. AMAT L; CARBODORCA R; PONEC R
      MOLECULAR QUANTUM SIMILARITY MEASURES AS AN ALTERNATIVE TO LOG-P VALUES IN QSAR STUDIES

      Journal of computational chemistry
    69. WU YS; LEE HK; LI SFY
      RAPID ESTIMATION OF OCTANOL-WATER PARTITION-COEFFICIENTS OF PESTICIDES BY MICELLAR ELECTROKINETIC CHROMATOGRAPHY

      Electrophoresis
    70. BOENING DW
      TOXICITY OF 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN TO SEVERAL ECOLOGICALRECEPTOR GROUPS - A SHORT REVIEW

      Ecotoxicology and environmental safety
    71. DAI JY; JIN LJ; WANG LS; ZHANG Z
      DETERMINATION AND ESTIMATION OF WATER SOLUBILITIES AND OCTANOL WATER PARTITION-COEFFICIENTS FOR DERIVATES OF BENZANILIDES/

      Chemosphere (Oxford)
    72. MAKINO M
      PREDICTION OF N-OCTANOL WATER PARTITION-COEFFICIENTS OF POLYCHLORINATED-BIPHENYLS BY USE OF COMPUTER CALCULATED MOLECULAR-PROPERTIES/

      Chemosphere
    73. FISCHER RG; BALLSCHMITER K
      DETERMINATION OF VAPOR-PRESSURE, WATER SOLUBILITY, GAS-WATER PARTITION-COEFFICIENT P-GW, HENRYS LAW CONSTANT, AND OCTANOL-WATER PARTITION-COEFFICIENT P-OW OF 26 ALKYL DINITRATES

      Chemosphere
    74. HU JY; AIZAWA T; OOKUBO Y; MORITA T; MAGARA Y
      ADSORPTIVE CHARACTERISTICS OF IONOGENIC AROMATIC PESTICIDES IN WATER ON POWDERED ACTIVATED CARBON

      Water research (Oxford)
    75. BEHECHTI A; SCHRAMM KW; ATTAR A; NIEDERFELLNER J; KETTRUP A
      ACUTE AQUATIC TOXICITIES OF 4 MUSK XYLENE DERIVATIVES ON DAPHNIA-MAGNA

      Water research
    76. KAUNE A; BRUGGEMANN R; SHARMA M; KETTRUP A
      SOIL ADSORPTION COEFFICIENTS OF S-TRIAZINES ESTIMATED WITH A NEW GRADIENT HPLC METHOD

      Journal of agricultural and food chemistry
    77. DORSEY JG; COOPER WT; SILES BA; FOLEY JP; BARTH HG
      LIQUID-CHROMATOGRAPHY - THEORY AND METHODOLOGY

      Analytical chemistry
    78. KAUNE A; BRUGGEMANN R; KETTRUP A
      HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHIC MEASUREMENT OF THE 1-OCTANOL-WATER PARTITION-COEFFICIENT OF S-TRIAZINE HERBICIDES AND SOME OF THEIRDEGRADATION PRODUCTS

      Journal of chromatography
    79. Devillers, J; Domine, D; Bintein, S; Karcher, W
      Comparison of fish bioconcentration models

      COMPARATIVE QSAR
    80. THOMAS J; ADETCHESSI O; PEHOURCQ F; DALLET P; JARRY C
      DETERMINATION OF PARTITION-COEFFICIENTS OF 2-AMINO-2-OXAZOLINES BY RP-HPLC - APPLICATION TO HYDROPHOBICITY STUDIES

      Journal of liquid chromatography & related technologies
    81. CARR KH; COYLE GT; KIMERLE RA
      BIOCONCENTRATION OF [C-14] BUTYL BENZYL PHTHALATE IN BLUEGILL SUNFISH(LEPOMIS-MACROCHIRUS)

      Environmental toxicology and chemistry
    82. RUBAS W; CROMWELL MEM
      THE EFFECT OF CHEMICAL MODIFICATIONS ON OCTANOL WATER PARTITION (LOG-D) AND PERMEABILITIES ACROSS CACO-2 MONOLAYERS/

      Advanced drug delivery reviews
    83. STAPLES CA; PETERSON DR; PARKERTON TF; ADAMS WJ
      THE ENVIRONMENTAL FATE OF PHTHALATE-ESTERS - A LITERATURE-REVIEW

      Chemosphere
    84. CHAISUKSANT Y; YU QM; CONNELL DW
      BIOCONCENTRATION OF BROMOBENZENE AND CHLOROBENZENE BY FISH (GAMBUSIA-AFFINIS)

      Water research
    85. NAGY PI; TAKACSNOVAK K
      THEORETICAL AND EXPERIMENTAL STUDIES OF THE ZWITTERION REVERSIBLE-ARROW NEUTRAL FORM EQUILIBRIUM OF AMPHOLYTES IN PURE SOLVENTS AND MIXTURES

      Journal of the American Chemical Society
    86. MUKHERJEE A; HALE VG; BORGA O; STEIN R
      PREDICTABILITY OF THE CLINICAL POTENCY OF NSAIDS FROM THE PRECLINICALPHARMACODYNAMICS IN RATS

      Inflammation research
    87. VERBRUGGEN EMJ; VANLOON WMGM; HERMENS JLM
      HYDROPHOBICITY OF COMPLEX ORGANIC MIXTURES

      Environmental science and pollution research international
    88. KHALIL FA; VANDAMME M; HANOCQ M; MAURIAC P; SAINTGERMAIN J; BOUZARD D; DAUPHIN JF
      SIMULTANEOUS DETERMINATION OF THE IONIZATION AND DIMERIZATION CONSTANTS AND THE PARTITION AND ION-PAIR EXTRACTION COEFFICIENTS FOR 1-8 NAPHTYRIDINE DERIVATIVES

      International journal of pharmaceutics
    89. WANG Y; ALLEN AG; HARRISON RM
      DETERMINATION OF OCTANOL-WATER PARTITION-COEFFICIENTS, WATER SOLUBILITY AND VAPOR-PRESSURES OF ALKYL-LEAD COMPOUNDS

      Applied organometallic chemistry
    90. SMEJTEK P; BLOCHEL A; WANG SR
      HYDROPHOBICITY AND SORPTION OF CHLOROPHENOLATES TO LIPID-MEMBRANES

      Chemosphere
    91. SCHRAMM KW; KAUNE A; BECK B; THUMM W; BEHECHTI A; KETTRUP A; NICKOLOVA P
      ACUTE TOXICITIES OF 5 NITROMUSK COMPOUNDS IN DAPHNIA, ALGAE AND PHOTOLUMINESCENT BACTERIA

      Water research
    92. NAKAMURA M; NAKAMURA M; YAMADA S
      CONDITIONS FOR SOLID-PHASE EXTRACTION OF AGRICULTURAL CHEMICALS IN WATERS BY USING N-OCTANOL-WATER PARTITION-COEFFICIENTS

      Analyst
    93. ABRAHAM MH; TREINER C; ROSES M; RAFOLS C; ISHIHAMA Y
      LINEAR FREE-ENERGY RELATIONSHIP ANALYSIS OF MICROEMULSION ELECTROKINETIC CHROMATOGRAPHIC DETERMINATION OF LIPOPHILICITY

      Journal of chromatography
    94. KLEYLE RM; NUROK D; KOSSOY AD; BURRIS SC
      NOVEL COMPUTATIONAL METHODS FOR THE DETERMINATION OF PARTITION-COEFFICIENTS BY PLANAR CHROMATOGRAPHY

      Journal of chromatography
    95. GLUCK SJ; BENKO MH; HALLBERG RK; STEELE KP
      INDIRECT DETERMINATION OF OCTANOL-WATER PARTITION-COEFFICIENTS BY MICROEMULSION ELECTROKINETIC CHROMATOGRAPHY

      Journal of chromatography
    96. GARCIA MA; DIEZMASA JC; MARINA ML
      CORRELATION BETWEEN THE LOGARITHM OF CAPACITY FACTORS FOR AROMATIC-COMPOUNDS IN MICELLAR ELECTROKINETIC CHROMATOGRAPHY AND THEIR OCTANOL-WATER PARTITION-COEFFICIENTS

      Journal of chromatography
    97. SCHUURMANN G
      QUANTUM-CHEMICAL ESTIMATION OF OCTANOL WATER PARTITION-COEFFICIENT - FIRST RESULTS WITH AROMATIC PHOSPHOROTHIONATES

      Fresenius environmental bulletin
    98. PAYAPEREZ AB; MANNONE P; SKEJOANDRESEN H
      TOXICITY OF CHLOROANILINES TO THE EARTHWORM EISENIA-FOETIDA

      Fresenius environmental bulletin
    99. KIM KH
      DESCRIPTION OF THE REVERSED-PHASE HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY (RP-HPLC) CAPACITY FACTORS AND OCTANOL-WATER PARTITION-COEFFICIENTS OF 2-PYRAZINE AND 2-PYRIDINE ANALOGS DIRECTLY FROM THE 3-DIMENSIONALSTRUCTURES USING COMPARATIVE MOLECULAR-FIELD ANALYSIS (COMFA) APPROACH

      Quantitative structure-activity relationships
    100. SHEMETULSKIS NE; DUNBAR JB; DUNBAR BW; MORELAND DW; HUMBLET C
      ENHANCING THE DIVERSITY OF A CORPORATE DATABASE USING CHEMICAL DATABASE CLUSTERING AND ANALYSIS

      Journal of computer-aided molecular design


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Documento generato il 26/05/20 alle ore 12:12:09